6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline

C14H12BrN3 — CID 110436009

IUPAC6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline
SMILESCc1cc(-n2ccnc2C)c2cc(Br)ccc2n1
InChIInChI=1S/C14H12BrN3/c1-9-7-14(18-6-5-16-10(18)2)12-8-11(15)3-4-13(12)17-9/h3-8H,1-2H3
InChIKeyXJNJEPFDYSVEOF-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.80
Rot. Bonds1

About 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline

6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline (PubChem CID 110436009) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline.

Molecular Properties

Compound Name6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline
PubChem CID110436009
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline
SMILESCc1cc(-n2ccnc2C)c2cc(Br)ccc2n1
InChIInChI=1S/C14H12BrN3/c1-9-7-14(18-6-5-16-10(18)2)12-8-11(15)3-4-13(12)17-9/h3-8H,1-2H3
InChIKeyXJNJEPFDYSVEOF-UHFFFAOYSA-N
XLogP3.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline?
The IUPAC name of 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline (CID 110436009) is 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline.
What is the SMILES notation for 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline?
The canonical SMILES for 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline is Cc1cc(-n2ccnc2C)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline?
The InChIKey is XJNJEPFDYSVEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-7-14(18-6-5-16-10(18)2)12-8-11(15)3-4-13(12)17-9/h3-8H,1-2H3.
What are the key properties of 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline?
6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline has a molecular weight of 302.18 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-4-(2-methylimidazol-1-yl)quinoline is sourced from PubChem (CID 110436009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).